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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | mithramycin | |
| Synonyms |
Mithramycinum Mithramycine Plicamycine aureolic acid Mithracin Plicamycin Plicamycinum (1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31856 |
|
| charge |
0
|
|
| database_cross_reference |
DrugBank:DB06810 KEGG:C12389 Drug_Central:2223 KEGG:D00468 CAS:18378-89-7
|
|
| formula |
C52H76O24
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_exact_synonym |
(1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Mithramycinum Mithramycine Plicamycine aureolic acid Mithracin Plicamycin Plicamycinum
|
|
| id |
CHEBI:31856
|
|
| in_subset | ||
| inchi |
InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1
|
|
| inchikey |
CFCUWKMKBJTWLW-BKHRDMLASA-N
|
|
| label |
mithramycin
|
|
| mass |
1085.14544
|
|
| monoisotopicmass |
1084.47265
|
|
| notation |
CHEBI:31856
|
|
| prefLabel |
mithramycin
|
|
| smiles |
[H][C@]1(Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)[C@H](OC)C(=O)[C@@H](O)[C@@H](C)O
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_52513 http://purl.obolibrary.org/obo/CHEBI_49322 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_52513 http://purl.obolibrary.org/obo/CHEBI_49322 |
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